Geometry & MOs

Info

ID:

188800

PubChem CID:

77768606

Reduced:

N5O6C43H67 (1)

Stoich.:

A5B6C43D67 (1)

Weight, g/mol:

549.222348

ΔHf, kcal/mol:

-295.37

Dipole, Da:

6.62

IP(EA), eV:

 -9.09(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 3-[2-[2-(1H-imidazol-2-ylamino)-2-oxoethyl]-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CCCCC(C(=O)NC(CC1CCCCC1)C(CC(C(C)C)C(=O)NCC2=CN=CC=C2)O)NC(CC3=CC=CC=C3)C(=O)N4CCC(CC4)OCOC

DOS

IR

Vibrations